NAME¶
csb-bfit - models non-rigid displacements in protein ensembles with
outlier-tolerant probability distributions
DESCRIPTION¶
usage: csb-bfit [-h] [-c CHAIN1] [-d CHAIN2] [-s {student,k}] [-a ALIGNMENT]
- [-o OUTFILE] [-n NITER] [--em] pdb1 pdb2
Python application for robust structure superposition of two
structures. bfit models non-rigid displacements in protein ensembles with
outlier-tolerant probability distributions.
positional arguments:¶
- pdb1
- full path to the first structure
- pdb2
- full path to the second structure
optional arguments:¶
- -h, --help
- show this help message and exit
- -c CHAIN1, --chain1 CHAIN1
- Chain of the first structure (default=A)
- -d CHAIN2, --chain2 CHAIN2
- Chain of the second structure (default=A)
- -s {student,k}, --scalemixture {student,k}
- Scale mixture distribution (default=student)
- -a ALIGNMENT, --alignment ALIGNMENT
- Alignment in fasta format defining equivalent positions Assumes that
chain1 is the first sequence of the alignment and chain2 the second
sequence
- -o OUTFILE, --outfile OUTFILE
- file to which the rotated second structure will be written
(default=bfit.pdb)
- -n NITER, --niter NITER
- Number of optimization steps (default=200)
- --em
- Use the EM algorithm for optimsation (default=False)
AUTHOR¶
This manpage was written by Andreas Tille for the Debian distribution and can be
used for any other usage of the program.
